Particle data cleanup

src/core/particle_data.cpp

@@ -555,12 +555,6 @@ void realloc_local_particles(int part) {
   }
 }
 
-void init_particlelist(ParticleList *pList) {
-  pList->n = 0;
-  pList->max = 0;
-  pList->part = nullptr;
-}
-
 int realloc_particlelist(ParticleList *l, int size) {
   assert(size >= 0);
   int old_max = l->max;

src/core/particle_data.hpp

@@ -66,9 +66,6 @@ enum {
 /** \ref ParticleProperties::ext_flag "ext_flag" mask to check whether any of
  *  the coordinates is fixed. */
 #define COORDS_FIX_MASK (COORD_FIXED(0) | COORD_FIXED(1) | COORD_FIXED(2))
-/** \ref ParticleProperties::ext_flag "ext_flag" mask to check whether all of
- *  the coordinates are fixed. */
-#define COORDS_ALL_FIXED (COORD_FIXED(0) & COORD_FIXED(1) & COORD_FIXED(2))
 
 #ifdef ROTATION
 /** \ref ParticleProperties::ext_flag "ext_flag" value for particle subject to
@@ -214,7 +211,7 @@ struct ParticlePosition {
   /** quaternions to define particle orientation */
   Utils::Vector4d quat = {1., 0., 0., 0.};
   /** unit director calculated from the quaternions */
-  inline const Utils::Vector3d calc_director() const {
+  Utils::Vector3d calc_director() const {
     return {2 * (quat[1] * quat[3] + quat[0] * quat[2]),
             2 * (quat[2] * quat[3] - quat[0] * quat[1]),
             quat[0] * quat[0] - quat[1] * quat[1] - quat[2] * quat[2] +
@@ -347,9 +344,7 @@ struct Particle {
   ///
   ParticlePosition r;
 #ifdef DIPOLES
-  inline const Utils::Vector3d calc_dip() const {
-    return r.calc_director() * p.dipm;
-  }
+  Utils::Vector3d calc_dip() const { return r.calc_director() * p.dipm; }
 #endif
   ///
   ParticleMomentum m;
@@ -397,38 +392,6 @@ struct Particle {
 #endif
 };
 
-/**
- * These functions cause a compile time error if
- * Particles are copied by memmove or memcpy,
- * which do not keep class invariants.
- *
- * These are templates so that the error is caused
- * at the place they are used.
- */
-template <typename Size> void memmove(Particle *, Particle *, Size) {
-  static_assert(sizeof(Size) == 0, "Particles can not be copied like this.");
-}
-template <typename Size> void memmove(Particle *, Particle const *, Size) {
-  static_assert(sizeof(Size) == 0, "Particles can not be copied like this.");
-}
-
-template <typename Size> void memcpy(Particle *, Particle *, Size) {
-  static_assert(sizeof(Size) == 0, "Particles can not be copied like this.");
-}
-template <typename Size> void memcpy(Particle *, Particle const *, Size) {
-  static_assert(sizeof(Size) == 0, "Particles can not be copied like this.");
-}
-
-template <typename Size, typename... Ts>
-void MPI_Send(Particle *, Size, Ts...) {
-  static_assert(sizeof(Size) == 0, "Particles can not be copied like this.");
-}
-
-template <typename Size, typename... Ts>
-void MPI_Send(Particle const *, Size, Ts...) {
-  static_assert(sizeof(Size) == 0, "Particles can not be copied like this.");
-}
-
 /** List of particles. The particle array is resized using a sophisticated
  *  (we hope) algorithm to avoid unnecessary resizes.
  *  Access using \ref realloc_particlelist, ...
@@ -479,10 +442,6 @@ void free_particle(Particle *part);
 /*    Functions acting on Particle Lists        */
 /************************************************/
 
-/** Initialize a particle list.
- *  Use with care and ONLY for initialization! */
-void init_particlelist(ParticleList *pList);
-
 /** Allocate storage for local particles and ghosts. This version
     does \em not care for the bond information to be freed if necessary.
     \param plist the list on which to operate

src/python/espressomd/particle_data.pyx

@@ -43,7 +43,6 @@ def _COORD_FIXED(coord):
 
 
 COORDS_FIX_MASK = _COORD_FIXED(0) | _COORD_FIXED(1) | _COORD_FIXED(2)
-COORDS_ALL_FIXED = _COORD_FIXED(0) & _COORD_FIXED(1) & _COORD_FIXED(2)
 PARTICLE_EXT_TORQUE = 16
 ROT_X = 2
 ROT_Y = 4